3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid

C13H14N2O2 — CID 43141377

IUPAC3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCc1ccc(C)c(-c2nn(C)cc2C(=O)O)c1
InChIInChI=1S/C13H14N2O2/c1-8-4-5-9(2)10(6-8)12-11(13(16)17)7-15(3)14-12/h4-7H,1-3H3,(H,16,17)
InChIKeyYHUQSNRIYCTMTF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.40
Rot. Bonds2

About 3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid

3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 43141377) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID43141377
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCc1ccc(C)c(-c2nn(C)cc2C(=O)O)c1
InChIInChI=1S/C13H14N2O2/c1-8-4-5-9(2)10(6-8)12-11(13(16)17)7-15(3)14-12/h4-7H,1-3H3,(H,16,17)
InChIKeyYHUQSNRIYCTMTF-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 43328624
[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485518
1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid
CID 43141385
4-methyl-2-(1-methylpyrazol-3-yl)benzoic acid
CID 103131531
5-(2,5-dimethylphenyl)-1-methyl-2-propan-2-ylpyrrole-3-carboxylic acid
CID 82093263
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
2-[4-bromo-5-(2,5-dimethylphenyl)-2-methylpyrazol-3-yl]acetic acid
CID 84605486
5-(2,5-dimethylphenyl)-2-methyl-1-propylpyrrole-3-carboxylic acid
CID 82093262
2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 53222689
4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
CID 53211178
1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 43324436

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid (CID 43141377) is 3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid is Cc1ccc(C)c(-c2nn(C)cc2C(=O)O)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is YHUQSNRIYCTMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-4-5-9(2)10(6-8)12-11(13(16)17)7-15(3)14-12/h4-7H,1-3H3,(H,16,17).
What are the key properties of 3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid?
3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43141377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).